octadecan-1-amine;bis(prop-1-en-1-ol)

C24H51NO2 — CID 157281865

IUPACoctadecan-1-amine;bis(prop-1-en-1-ol)
SMILESCC=CO.CC=CO.CCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C18H39N.2C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-2-3-4/h2-19H2,1H3;2*2-4H,1H3
InChIKeyAZTIZUDSUPASNM-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.36
Rot. Bonds16

About octadecan-1-amine;bis(prop-1-en-1-ol)

octadecan-1-amine;bis(prop-1-en-1-ol) (PubChem CID 157281865) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is octadecan-1-amine;bis(prop-1-en-1-ol).

Molecular Properties

Compound Nameoctadecan-1-amine;bis(prop-1-en-1-ol)
PubChem CID157281865
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Nameoctadecan-1-amine;bis(prop-1-en-1-ol)
SMILESCC=CO.CC=CO.CCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C18H39N.2C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-2-3-4/h2-19H2,1H3;2*2-4H,1H3
InChIKeyAZTIZUDSUPASNM-UHFFFAOYSA-N
XLogP8.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

formic acid;heptan-1-amine
CID 144828464
decan-1-amine;formic acid
CID 157494086
dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;titanium
CID 174493472
azane;hexadecan-1-amine
CID 19891859

Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;bis(prop-1-en-1-ol)?
The IUPAC name of octadecan-1-amine;bis(prop-1-en-1-ol) (CID 157281865) is octadecan-1-amine;bis(prop-1-en-1-ol).
What is the SMILES notation for octadecan-1-amine;bis(prop-1-en-1-ol)?
The canonical SMILES for octadecan-1-amine;bis(prop-1-en-1-ol) is CC=CO.CC=CO.CCCCCCCCCCCCCCCCCCN.
What is the InChIKey of octadecan-1-amine;bis(prop-1-en-1-ol)?
The InChIKey is AZTIZUDSUPASNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.2C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-2-3-4/h2-19H2,1H3;2*2-4H,1H3.
What are the key properties of octadecan-1-amine;bis(prop-1-en-1-ol)?
octadecan-1-amine;bis(prop-1-en-1-ol) has a molecular weight of 385.68 g/mol, XLogP of 8.36, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;bis(prop-1-en-1-ol) is sourced from PubChem (CID 157281865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).